Structure of PDB 4wcx Chain A Binding Site BS03

Receptor Information
>4wcx Chain A (length=454) Species: 580331 (Thermoanaerobacter italicus Ab9) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ADFINDEKIRQDLEKAKKATSKDALEIIEKAKNLKGITPEEAAVLLNVED
EDLLNEMFKVARYIKEEIYGNRIVIFAPLYVSNYCVNNCRYCGYRHSNEQ
QRKKLTMEEVRREVEILEEMGHKRLAVEAGEDPVNCPIDYIVDVIKTIYD
TKLKNGSIRRVNVNIAATTVENYKKLKKVGIGTYVLFQETYHRPTYEYMH
PQGPKHDYDYHLTAMDRAMEAGIDDVGLGVLYGLYDYKYETVAMLYHANH
LEEKFGVGPHTISVPRLRPALNISIDKFPYIVSDKDFKKLVAVIRMAVPY
TGMILSTREKPKFREEVISIGISQISAGSCTGVGGYHEEKPQFEVEDKRS
PNEILRTLCEQGYLPSYCTACYRMGRTGDRFMSFAKSGQIHNFCLPNAIL
TFKEFLIDYGDEKTKKIGEKAIAVNLEKIPSRTVREETKRRLTRIENGER
DLYF
Ligand information
Ligand IDMET
InChIInChI=1S/C5H11NO2S/c1-9-3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-/m0/s1
InChIKeyFFEARJCKVFRZRR-BYPYZUCNSA-N
SMILES
SoftwareSMILES
CACTVS 3.341CSCC[CH](N)C(O)=O
OpenEye OEToolkits 1.5.0CSCCC(C(=O)O)N
CACTVS 3.341CSCC[C@H](N)C(O)=O
OpenEye OEToolkits 1.5.0CSCC[C@@H](C(=O)O)N
ACDLabs 10.04O=C(O)C(N)CCSC
FormulaC5 H11 N O2 S
NameMETHIONINE
ChEMBLCHEMBL42336
DrugBankDB00134
ZINCZINC000001532529
PDB chain4wcx Chain A Residue 503 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4wcx X-ray crystallographic and EPR spectroscopic analysis of HydG, a maturase in [FeFe]-hydrogenase H-cluster assembly.
Resolution1.59 Å
Binding residue
(original residue number in PDB)		Y85 Y99 E133 A134 Q354
Binding residue
(residue number reindexed from 1)		Y80 Y94 E128 A129 Q342
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0003824 catalytic activity
GO:0046872 metal ion binding
GO:0051536 iron-sulfur cluster binding
GO:0051539 4 iron, 4 sulfur cluster binding
Biological Process
GO:0042364 water-soluble vitamin biosynthetic process
GO:0044272 sulfur compound biosynthetic process

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Molecular Function
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Biological Process
External links
PDB RCSB:4wcx, PDBe:4wcx, PDBj:4wcx
PDBsum4wcx
PubMed25605932
UniProtD3T7F1

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